UCSF

ZINC21981780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 1.88 -17.87 1 2 0 37 163.991 0
Mid Mid (pH 6-8) 2.27 0.65 -7.55 1 2 0 33 163.991 0
Mid Mid (pH 6-8) 2.27 1.45 -31.81 0 2 -1 36 162.983 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.